2-[5-[(2,3-dimethoxyphenyl)methyl-ethyl-amino]pentyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[5-[(2,3-dimethoxyphenyl)methyl-ethyl-amino]pentyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[5-[(2,3-dimethoxyphenyl)methyl-ethyl-amino]pentyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[5-[(2,3-dimethoxyphenyl)methyl-ethylamino]pentyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[5-[(2,3-dimethoxyphenyl)methyl-ethylamino]pentyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[5-[ethyl(o-veratryl)amino]pentyl]-5-nitro-isoindoline-1,3-quinone Formula: C24H29N3O6 MolecularWeight: 455.50356

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CCN(CCCCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C24H29N3O6/c1-4-25(16-17-9-8-10-21(32-2)22(17)33-3)13-6-5-7-14-26-23(28)19-12-11-18(27(30)31)15-20(19)24(26)29/h8-12,15H,4-7,13-14,16H2,1-3H3